C124H89ClF28N28O7 — CID 158781281
4-chloro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-fluoro-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-fluoro-2-pyridinyl]-2-fluorobenzamide;2,6-difluoro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide (PubChem CID 158781281) has the molecular formula C124H89ClF28N28O7 and a molecular weight of 2650.66 g/mol. Its IUPAC name is 4-chloro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-fluoro-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-fluoro-2-pyridinyl]-2-fluorobenzamide;2,6-difluoro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide.
| Compound Name | 4-chloro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-fluoro-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-fluoro-2-pyridinyl]-2-fluorobenzamide;2,6-difluoro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide |
|---|---|
| PubChem CID | 158781281 |
| Molecular Formula | C124H89ClF28N28O7 |
| Molecular Weight | 2650.66 g/mol |
| Exact Mass | 2648.67 |
| IUPAC Name | 4-chloro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-fluoro-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-fluoro-2-pyridinyl]-2-fluorobenzamide;2,6-difluoro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide |
| SMILES | Cc1cccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(F)n2)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1F.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(Cl)cc2)nc1F.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2)nc1F.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2F)nc1F.Cn1nc(C2CC2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1F.Cn1nc(C2CC2)cc1-c1ccc(NC(=O)c2ccccc2F)nc1F |
| InChI | InChI=1S/C19H15F3N4O.C19H16F2N4O.C18H14F4N4O.C17H11ClF4N4O.C17H10F6N4O.C17H11F5N4O.C17H12F4N4O/c1-26-15(9-14(25-26)10-5-6-10)11-7-8-16(23-18(11)22)24-19(27)17-12(20)3-2-4-13(17)21;1-25-16(10-15(24-25)11-6-7-11)13-8-9-17(22-18(13)21)23-19(26)12-4-2-3-5-14(12)20;1-10-4-3-5-11(8-10)17(27)24-15-7-6-12(16(19)23-15)13-9-14(18(20,21)22)25-26(13)2;1-26-12(8-13(25-26)17(20,21)22)11-6-7-14(23-15(11)19)24-16(27)9-2-4-10(18)5-3-9;1-27-11(7-12(26-27)17(21,22)23)8-5-6-13(24-15(8)20)25-16(28)14-9(18)3-2-4-10(14)19;1-26-12(8-13(25-26)17(20,21)22)10-6-7-14(23-15(10)19)24-16(27)9-4-2-3-5-11(9)18;1-25-12(9-13(24-25)17(19,20)21)11-7-8-14(22-15(11)18)23-16(26)10-5-3-2-4-6-10/h2-4,7-10H,5-6H2,1H3,(H,23,24,27);2-5,8-11H,6-7H2,1H3,(H,22,23,26);3-9H,1-2H3,(H,23,24,27);2-8H,1H3,(H,23,24,27);2-7H,1H3,(H,24,25,28);2-8H,1H3,(H,23,24,27);2-9H,1H3,(H,22,23,26) |
| InChIKey | IRCLZYRJDVTUNM-UHFFFAOYSA-N |
| XLogP | 28.76 |
| TPSA | 418.67 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 188 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2650.66 |
| LogP ≤ 5 | 28.76 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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